O-[1-(Tert-Butyl)-5-Chloro-1H-1,2,4-Triazol-3-Yl] O,O-Diethyl Thiophosphate
[CAS# 68957-49-3]

Identification

• Name: O-[1-(Tert-Butyl)-5-Chloro-1H-1,2,4-Triazol-3-Yl] O,O-Diethyl Thiophosphate
• Synonyms: (1-Tert-Butyl-5-Chloro-1,2,4-Triazol-3-Yl)Oxy-Diethoxy-Thioxo-Phosphorane; (1-Tert-Butyl-5-Chloro-1,2,4-Triazol-3-Yl)Oxy-Diethoxy-Thioxophosphorane; (1-Tert-Butyl-5-Chloro-1,2,4-Triazol-3-Yl)Oxy-Diethoxy-Sulfanylidene-Phosphorane
• Molecular Formula: C₁₀H₁₉ClN₃O₃PS
• Molecular Weight: 327.77
• CAS Registry Number: 68957-49-3
• EINECS: 273-341-8
• SMILES: C(O[P](OC1=N[N](C(=N1)Cl)C(C)(C)C)(=S)OCC)C
• InChI: 1S/C10H19ClN3O3PS/c1-6-15-18(19,16-7-2)17-9-12-8(11)14(13-9)10(3,4)5/h6-7H2,1-5H3
• InChIKey: MBMDOOLFVVYKFT-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 395.564°C at 760 mmHg (Cal.)
• Flash point: 193.031°C (Cal.)